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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51

All sources NASA NTRS DOE OSTI

DOE OSTI2014

Coupling of Mechanical Behavior of Cell Components to Electrochemical-Thermal Models for Computer-Aided Engineering of Batteries under Abuse (Presentation)

The EV Everywhere Grand Challenge aims to produce plug-in electric vehicles as affordable and convenient for the American family as gasoline-powered vehicles by 2022. Among the requirements set by the challenge, electric vehicles must be as safe as conventional vehicles, and EV batteries must not lead to unsafe situations under abuse conditions. NREL's project started in October 2013, based on a proposal in response to the January 2013 DOE VTO FOA, with the goal of developing computer aided engineering tools to accelerate the development of safer lithium ion batteries.

25 ENERGY STORAGE↗

NASA NTRS1976

Thermal-environment testing of a 30-cm engineering model thruster

An experimental test program was carried out to document all 30-cm electron bombardment Hg ion bombardment thruster functions and characteristics over the thermal environment of several proposed missions. An engineering model thruster was placed in a thermal test facility equipped with -196 C walls and solar simulation. The thruster was cold soaked and exposed to simulated eclipses lasting in duration from 17 to 72 minutes. The thruster was operated at quarter, to full beam power in various thermal configurations which simulated multiple thruster operation, and was also exposed to 1 and 2 suns solar simulation. Thruster control characteristics and constraints; performance, including thrust magnitude and direction; and structural integrity were evaluated over the range of thermal environments tested.

Mirtich, M. J.↗

NASA NTRS1976

Thermal-environmental testing of a 30-cm engineering model thruster

Mirtich, M. J.↗

DOE OSTI2019

ReaxFF molecular dynamics simulations on the structure and dynamics of electrolyte water systems at ambient temperature

Here, ReaxFF molecular dynamics simulations have been performed to study the effect of cations Li + , Na+ and K + and anion Cl - on the structural and dynamical properties of water, using the force field recently developed by Fedkin and co-workers. The structural relationship of ion and water has been analyzed from the radial distribution function and angular distribution. Comparisons of ReaxFF angle variation of ions and water within the first solvation shell were made and found to be in good agreement with literature. The disruption of hydrogen bond network of water by ions is elucidated by ion-water residence times, water-water hydrogen bond dynamics and reorientational dynamics. ReaxFF diffusion coefficient and residence times of electrolyte water system were compared with ab initio and non-reactive potentials to analyze the difference in dynamics. We gained insight into the ion interaction with water and how it can accelerate or decelerate water dynamics. ReaxFF outlines the formation and dissolution of metal hydroxides and metal chlorides over the course of simulation to explain the diffusion dynamics of water in salt solutions, allowing us to elucidate the impact of concentration on the self-diffusivity of water and ions in solutions, and to reveal that this effect always decreases the mobility and is not at all ion-specific. The obtained findings have opened new opportunities to extend the ReaxFF methodology towards systems involving electrolytes.

42 ENGINEERING↗

DOE OSTI2026

Revealing the Defect‐Driven Ferroelectric Mechanisms of Aluminum Nitride

Wurtzite III-nitride compounds are CMOS-compatible with widespread industrial interest to exercise ferroelectricity, despite their polar structure being highly resistant to polarization reversal. Here, we induce and tune ferroelectric properties in w-AlN via direct-write ion-beam processing, using nanoscale patterned defect engineering as a post-growth alternative to conventional cation substitution. Nanometric piezoresponse spectroscopy of the focused He + beam patterned defect concentrations in ferroelectric Al 0.92 B 0.08 N measures a localized 10x enhancement in effective piezoresponse and 40% reduction in switching barrier. The irradiation-induced point defects convert piezoelectric AlN into a ferroelectric system with site-saturated nucleation and raise the dielectric susceptibility, switched polarization, and effective piezoelectric coefficient. Enhanced defect-lattice interactions in AlN increase carrier conduction and phonon scattering loss but preserve long-range crystallinity. Here, based on atomistic analysis of nudged elastic band density functional theory calculations and reactive force field simulations, both nitrogen vacancies and defect complexes disrupt bond ordering, facilitating a line-by-line low-barrier switching of pristine AlN.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Ion Generators

"Kaufman thrusters," or electron bombardment thrusters, were developed for a spacecraft electric propulsion technique called ion propulsion. The technique, conceived by a Lewis Research Center engineer, is used by industry to etch microcircuits for electronic systems and deposition of thin films as coatings on gas atoms to create ions in a discharge chamber. The ions are ejected from the chamber as ion beams, then mixed with an equal number of electrons becoming a thrusting force. Commonwealth Scientific Corporation's product line derives largely from Dr. Kaufman's technology and includes ion sources for a number of applications.

Source record↗

DOE OSTI2025

A layered Prussian blue analogue as fast-charging negative electrode material for lithium-ion batteries

The simultaneous achievement of fast-charging and high specific capacity remains a critical challenge for lithium-ion battery negative electrodes. Here we report a layered manganese-based Prussian blue analogue, synthesized through vacancy control and subsequent thermal transformation. As a conversion-type negative electrode, this material exhibits high-rate performance, delivering a specific capacity of 510 mAh g −1 at a specific current of 8 A g −1 , and operates at a moderate average voltage of approximately 1.2 V vs. Li/Li + , which mitigates lithium plating risks. This high-rate capability stems from the analogue’s specific linkage configurations, which facilitate a high content of active transition metal and strong Li+ adsorption at nitrogen sites. The high transition metal content enables a high reversible capacity, while strong Li + adsorption promotes an efficient initial crystalline-to-amorphous transformation. This process induces dynamically reversible component migration during subsequent cycling, thereby enhancing conversion reaction kinetics. Our findings provide insights into the application of Prussian blue analogues as fast-charging negative electrode materials. The development of fast-charging and high-capacity negative electrodes is critical for advanced lithium-ion batteries. Here, authors use a vacancy engineering strategy to develop a layered Prussian blue analogue with competitive rate capability, delivering a specific capacity of 510 mAh g −1 at a specific current of 8 A g −1 .

25 ENERGY STORAGE↗

DOE OSTI2017

Strain effects on oxygen vacancy energetics in KTaO 3

Due to lattice mismatch between epitaxial films and substrates, in-plane strain fields are produced in the thin films, with accompanying structural distortions, and ion implantation can be used to controllably engineer the strain throughout the film. Because of the strain profile, local defect energetics are changed. In this study, the effects of in-plane strain fields on the formation and migration of oxygen vacancies in KTaO 3 are investigated using first-principles calculations. In particular, the doubly positive charged oxygen vacancy (V 2+ O) is studied, which is considered to be the main charge state of the oxygen vacancy in KTaO 3 . We find that the formation energies for oxygen vacancies are sensitive to in-plane strain and oxygen position. The local atomic configuration is identified, and strong relaxation of local defect structure is mainly responsible for the formation characteristics of these oxygen vacancies. Based on the computational results, formation-dependent site preferences for oxygen vacancies are expected to occur under epitaxial strain, which can result in orders of magnitude differences in equilibrium vacancy concentrations on different oxygen sites. In addition, all possible migration pathways, including intra- and inter-plane diffusions, are considered. In contrast to the strain-enhanced intra-plane diffusion, the diffusion in the direction normal to the strained plane is impeded under the epitaxial strain field. Lastly, these anisotropic diffusion processes can further enhance site preferences.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Engineered magnetic domain textures in exchange bias bilayer systems

A magnetic domain texture has been deterministically engineered in a topographically flat exchange-biased (EB) thin film system. The texture consists of long-range periodically arranged unit cells of four individual domains, characterized by individual anisotropies, individual geometry, and with non-collinear remanent magnetizations. The texture has been engineered by a sequence of light-ion bombardment induced magnetic patterning of the EB layer system. The magnetic texture's in-plane spatial magnetization distribution and the corresponding domain walls have been characterized by scanning electron microscopy with polarization analysis (SEMPA). The influence of magnetic stray fields emerging from neighboring domain walls and the influence of the different anisotropies of the adjacent domains on the Néel type domain wall core's magnetization rotation sense and widths were investigated. It is shown that the usual energy degeneracy of clockwise and counterclockwise rotating magnetization through the walls is revoked, suppressing Bloch lines along the domain wall. Estimates of the domain wall widths for different domain configurations based on material parameters determined by vibrating sample magnetometry were quantitatively compared to the SEMPA data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Dimensional reduction and ionic gating induced enhancement of superconductivity in atomically thin crystals of 2H-TaSe 2

The effects of dimensional reduction and ion intercalation on superconductivity (SC) in the presence of charge density waves (CDWs) in two-dimensional crystals of 2H-TaSe 2 were characterized. We prepared atomically thin crystals by mechanical exfoliation and performed electrical transport measurements on devices made by photolithography. The superconducting transition temperature ($T$ $^{SC}_{c}$) was found to increase monotonically as the thickness decreased, changing from 0.14 K in the bulk to higher than 1.4 K for a 3-nm-thick crystal. Here, the temperature dependence of upper critical field was found to be anomalous. The CDW transition temperature ($T$ $^{CDW}_{c}$) was found to decrease, but to a less extent than $T$ $^{SC}_{c}$, from 120 K in the bulk to around 113 K for the 3-nm-thick crystal. In addition, ion intercalation was found to increase $T$ $^{SC}_{c}$ and suppress $T$ $^{CDW}_{c}$ in an atomically thin crystal of 2H-TaSe 2 . The implications of these findings are discussed. We suggest that dimensional reduction and ion intercalation are potentially effective ways to engineer material properties for layered transition metal chalcogenides.

2D material↗

NASA NTRS1976

Development of a 30-cm ion thruster thermal-vacuum power processor

The 30-cm Hg electron-bombardment ion thruster presently under development has reached engineering model status and is generally accepted as the prime propulsion thruster module to be used on the earliest solar electric propulsion missions. This paper presents the results of a related program to develop a transistorized 3-kW Thermal-Vacuum Breadboard (TVBB) Power Processor for this thruster. Emphasized in the paper are the implemented electrical and mechanical designs as well as the resultant system performance achieved over a range of test conditions. In addition, design modifications affording improved performance are identified and discussed.

Herron, B. G.↗

NASA NTRS1979

Reduced power processor requirements for the 30-cm diameter Hg ion thruster

An evaluation of simplifications for the thruster power processor interface for a 30 cm Hg ion thruster is presented. Tests on the engine, thruster control, and the power supplies are performed. Reduced power processors requirements are defined and the impact on thruster design, performance, and lifetime are assessed.

Rawlin, V. K.↗

NASA NTRS2002

Solar Electric Propulsion Vehicle Design Study for Cargo Transfer to Earth-moon L1

A design study for a cargo transfer vehicle using solar electric propulsion was performed for NASA's Revolutionary Aerospace Systems Concepts program. Targeted for 2016, the solar electric propulsion (SEP) transfer vehicle is required to deliver a propellant supply module with a mass of approximately 36 metric tons from Low Earth Orbit to the first Earth-Moon libration point (LL1) within 270 days. Following an examination of propulsion and power technology options, a SEP transfer vehicle design was selected that incorporated large-area (approx. 2700 sq m) thin film solar arrays and a clustered engine configuration of eight 50 kW gridded ion thrusters mounted on an articulated boom. Refinement of the SEP vehicle design was performed iteratively to properly estimate the required xenon propellant load for the out-bound orbit transfer. The SEP vehicle performance, including the xenon propellant estimation, was verified via the SNAP trajectory code. Further efforts are underway to extend this system model to other orbit transfer missions.

Sarver-Verhey, Timothy R.↗

DOE OSTI2013

A multiphase electrokinetic flow model for electrolytes with liquid/liquid interfaces

A numerical model for electrokinetic flow of multiphase systems with deformable interfaces is presented, based on a combined level set-volume of fluid technique. A new feature is a multiphase formulation of the Nernst–Planck transport equation for advection, diffusion and conduction of individual charge carrier species that ensures their conservation in each fluid phase. The numerical model is validated against the analytical results of Zholkovskij et al. (2002) [1], and results for the problem of two drops coalescing in the presence of mobile charge carriers are presented. The time taken for two drops containing ions to coalesce decreases with increasing ion concentration.

42 ENGINEERING↗

DOE OSTI2026

Africa Battery Energy Storage Systems (BESS) Capacity Building Li-Ion Battery Degradation and Performance [Slides]

This presentation is intended for power system engineers, operators, and planners who work on isolated power systems that have (or may soon have) high levels of power generation coming from wind turbines, solar farms, and battery energy storage, which are collectively referred to as inverter-based resources. It describes the basics of lithium-ion battery energy storage systems and lithium-ion battery degradation. Battery degradation at the cell-level is explained, and then the structure and degradation of battery energy storage systems is also explained. This is intended to help power system engineers, operators, and planners to understand and effectively utilize battery energy storage systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Standard Operating Protocol for Ion-Exchange Capacity of Anion Exchange Membranes

Ion-exchange capacity (IEC) is the measure of a material’s capability to displace ions formerly incorporated within its structure. IEC is a key feature of anion-exchange membranes (AEM), as it determines the AEM’s ability to conduct the ions required to sustain the electrochemical reactions where they are utilized. As an intrinsic property, measuring the IEC accurately is essential to study AEMs and understand their performance within devices. In this method article, a facile and accurate standard operating procedure (SOP) to measure the IEC of AEMs is proposed. When compared to conventional acid-base back-titration or Mohr titration, the proposed method combines the fast reaction between silver and halide ions and the accuracy of the potentiometric titration, providing a convenient and precise protocol for researchers in the field.

42 ENGINEERING↗

NASA NTRS1989

AFE ion mass spectrometer design study

This final technical report covers the activities engaged in by the University of Texas at Dallas, Center for Space Sciences in conjunction with the NASA Langley Research Center, Systems Engineering Division in design studies directed towards defining a suitable ion mass spectrometer to determine the plasma parameter around the Aeroassisted Flight Experiment vehicle during passage through the earth's upper atmosphere. Additional studies relate to the use of a Langmuir probe to measure windward ion/electron concentrations and temperatures. Selected instrument inlet subsystems were tested in the NASA Ames Arc-Jet Facility.

Wright, Willie↗

DOE OSTI2016

Zeolite-based SCR catalysts and their use in diesel engine emission treatment

A catalyst comprising a zeolite loaded with copper ions and at least one trivalent metal ion other than Al.sup.+3, wherein the catalyst decreases NO.sub.x emissions in diesel exhaust. The trivalent metal ions are selected from, for example, trivalent transition metal ions, trivalent main group metal ions, and/or trivalent lanthanide metal ions. In particular embodiments, the catalysts are selected from Cu--Fe-ZSM5, Cu--La-ZSM-5, Fe--Cu--La-ZSM5, Cu--Sc-ZSM-5, and Cu--In-ZSM5. The catalysts are placed on refractory support materials and incorporated into catalytic converters.

36 MATERIALS SCIENCE↗